71963-94-5 (6-(C-β-D-吡喃葡萄糖基)柚皮素,6-(C-beta-D-glucopyranosyl)naringenin)

CAS号:
71963-94-5
中文名称:
6-(C-β-D-吡喃葡萄糖基)柚皮素
英文名称:
6-(C-beta-D-glucopyranosyl)naringenin
分子式:
C21H22O10
分子量:
434.393387317657
植物源:

6-(C-β-D-吡喃葡萄糖基)柚皮素(71963-94-5)名称与标识符

名称

英文别名:
6-(C-beta-D-glucopyranosyl)naringenin;6-beta-D-Glucopyranosyl-naringenin;6-beta-D-Glucopyranosyl-naringenin, Hemiphloin synth.;6-C-glucosylnaringenin;hemiphloin;naringenin-6-C-beta,D-glucopyranoside;AKOS040738748;71963-94-5;NCGC00380476-01!5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one;Compound NP-015494;FT-0778278;Compound TBBP06469;SXB3TK6ELL;Naringenin-6-C-glucoside, >=95% (LC/MS-ELSD);AKOS040740421;1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl]hexitol;Flavanone, 6-beta-D-glucopyranosyl-4',5,7-trihydroxy-, (S)-;NCGC00169631-03!(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one;Naringenin 6-C-beta-D-glucopyranoside, (2S)-;CHEBI:189521;MEGxp0_001171;3682-03-9;4H-1-Benzopyran-4-one, 6-beta-D-glucopyranosyl-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (S)-;ACon1_001147;SCHEMBL7170759;Naringenin-6-C-glucoside;BRD-K06034297-001-01-8;4H-1-Benzopyran-4-one, 6-beta-D-glucopyranosyl-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2S)-;NCGC00169631-01;NS00097609;(2S)-Naringenin 6-C-beta-D-glucopyranoside;DA-64099;FS-7421;E88690;DTXSID50958027;(2S)-6-beta-D-Glucopyranosyl-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one;(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)-2,3-dihydrochromen-4-one;

标识符

InChIKey:
QKPKGDDHOGIEOO-JVVVWQBKSA-N
Inchi:
1S/C21H22O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-4,6,12,14,17,19-23,25-29H,5,7H2/t12-,14+,17+,19-,20+,21-/m0/s1
SMILES:
O1[C@H](CO)[C@H]([C@@H]([C@H]([C@@H]1C1=C(C=C2C(C(C[C@@H](C3C=CC(=CC=3)O)O2)=O)=C1O)O)O)O)O

6-(C-β-D-吡喃葡萄糖基)柚皮素(71963-94-5)物化性质

计算特性

  • 精确分子量 : 434.12129689g/mol
  • 氢键供体数量 : 7
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 3
  • 同位素质量 : 434.12129689g/mol
  • 重原子数量 : 31
  • 复杂度 : 638
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 6
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -0.1
  • 拓扑分子极性表面积 : 177Ų